LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# Pure Cu crystal, structure created by LAMMPS, qeq off

units		metal
atom_style	charge
dimension       3
boundary        p p p

lattice  	fcc 3.615
Lattice spacing in x,y,z = 3.615 3.615 3.615
region		box block 0 4 0 4 0 4
create_box	1 box
Created orthogonal box = (0 0 0) to (14.46 14.46 14.46)
  1 by 2 by 2 MPI processor grid
create_atoms	1 box
Created 256 atoms
  Time spent = 0.000329494 secs
mass		1 63.54

pair_style	comb
pair_coeff	* * ffield.comb Cu
Reading potential file ffield.comb with DATE: 2011-02-22

neighbor	0.5 bin
neigh_modify	every 1 delay 1 check yes

fix		1 all nve
timestep        0.00020

thermo_style	custom step temp etotal pe evdwl ecoul press vol lx ly lz xz
thermo_modify	norm yes
velocity	all create 10.1 2398378
thermo	  	1

#dump		1 all custom 10 tmp.dump id type xs ys zs q vx vy vz fx fy fz
#dump_modify	1 append yes element Cu

#dump		2 all image 10 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
#dump_modify	2 pad 2 element Cu

#dump		3 all movie 10 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
#dump_modify	3 pad 2 element Cu

run  		10
Neighbor list info ...
  update every 1 steps, delay 1 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 12.5
  ghost atom cutoff = 12.5
  binsize = 6.25, bins = 3 3 3
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair comb, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 6.951 | 6.951 | 6.951 Mbytes
Step Temp TotEng PotEng E_vdwl E_coul Press Volume Lx Ly Lz Xz 
       0         10.1   -3.5063151   -3.5076155   -3.5076155            0    27.496055    3023.4645        14.46        14.46        14.46            0 
       1    10.099638   -3.5063151   -3.5076155   -3.5076155            0    27.513531    3023.4645        14.46        14.46        14.46            0 
       2    10.098553   -3.5063151   -3.5076153   -3.5076153            0    27.565957    3023.4645        14.46        14.46        14.46            0 
       3    10.096744   -3.5063151   -3.5076151   -3.5076151            0    27.653322    3023.4645        14.46        14.46        14.46            0 
       4    10.094212   -3.5063151   -3.5076148   -3.5076148            0    27.775611    3023.4645        14.46        14.46        14.46            0 
       5    10.090958   -3.5063151   -3.5076144   -3.5076144            0    27.932801    3023.4645        14.46        14.46        14.46            0 
       6    10.086981   -3.5063151   -3.5076139   -3.5076139            0    28.124863    3023.4645        14.46        14.46        14.46            0 
       7    10.082283   -3.5063151   -3.5076132   -3.5076132            0    28.351761    3023.4645        14.46        14.46        14.46            0 
       8    10.076864   -3.5063151   -3.5076125   -3.5076125            0    28.613454    3023.4645        14.46        14.46        14.46            0 
       9    10.070725   -3.5063151   -3.5076118   -3.5076118            0    28.909893    3023.4645        14.46        14.46        14.46            0 
      10    10.063868   -3.5063151   -3.5076109   -3.5076109            0    29.241022    3023.4645        14.46        14.46        14.46            0 
Loop time of 0.0479479 on 4 procs for 10 steps with 256 atoms

Performance: 3.604 ns/day, 6.659 hours/ns, 208.560 timesteps/s
97.3% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.043196   | 0.044313   | 0.045375   |   0.4 | 92.42
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0020213  | 0.0028703  | 0.0042944  |   1.7 |  5.99
Output  | 0.00023198 | 0.00052303 | 0.00077415 |   0.0 |  1.09
Modify  | 1.4782e-05 | 1.657e-05  | 1.812e-05  |   0.0 |  0.03
Other   |            | 0.0002254  |            |       |  0.47

Nlocal:    64 ave 64 max 64 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:    2971 ave 2971 max 2971 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  43136 ave 43136 max 43136 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 172544
Ave neighs/atom = 674
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:00
